COMPOUND: C00414
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Entry
C00414 Compound
Name
Cyclohexanone
Formula
C6H10O
Exact mass
98.0732
Mol weight
98.14
Structure
Mol file
KCF file
DB search
Reaction
R02229
R02231
R02232
R02233
R02234
Pathway
map00930
Caprolactam degradation
map01120
Microbial metabolism in diverse environments
map01220
Degradation of aromatic compounds
Enzyme
1.1.1.163
1.1.1.245
1.3.99.14
1.4.3.12
1.14.13.22
4.1.3.35
Other DBs
CAS:
108-94-1
PubChem:
3704
ChEBI:
17854
PDB-CCD:
CYH
[
PDBj
]
NIKKAJI:
J2.872J
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KCF data
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ATOM 7
1 C5x C 26.4600 -19.1589
2 C1x C 25.2482 -19.8614
3 C1x C 27.6718 -19.8614
4 O5x O 26.4658 -17.7599
5 C1x C 25.2482 -21.2606
6 C1x C 27.6718 -21.2606
7 C1x C 26.4600 -21.9630
BOND 7
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 3 6 1
6 5 7 1
7 6 7 1
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